diff --git a/include/cantera/thermo/AdsorbateThermo.h b/include/cantera/thermo/AdsorbateThermo.h index ad11e301a..acf18a31b 100644 --- a/include/cantera/thermo/AdsorbateThermo.h +++ b/include/cantera/thermo/AdsorbateThermo.h @@ -1,10 +1,10 @@ /** - * @file AdsorbateThermo.h + * @file AdsorbateThermo.h * - * Header for a single-species standard - * state object derived from \link Cantera::SpeciesThermoInterpType - * SpeciesThermoInterpType\endlink based on the expressions for the - * thermo properties of a species with several vibrational models. + * Header for a single-species standard state object derived from \link + * Cantera::SpeciesThermoInterpType SpeciesThermoInterpType\endlink based on the + * expressions for the thermo properties of a species with several vibrational + * models. */ // Copyright 2007 California Institute of Technology @@ -20,9 +20,9 @@ namespace Cantera * An adsorbed surface species. * * This class is designed specifically for use by the class - * GeneralSpeciesThermo. It implements a model for the - * thermodynamic properties of a molecule that can be modeled as a - * set of independent quantum harmonic oscillators. + * GeneralSpeciesThermo. It implements a model for the thermodynamic properties + * of a molecule that can be modeled as a set of independent quantum harmonic + * oscillators. * * @ingroup spthermo */ diff --git a/include/cantera/thermo/ConstCpPoly.h b/include/cantera/thermo/ConstCpPoly.h index 0d0ac5e2c..34b57f8b5 100644 --- a/include/cantera/thermo/ConstCpPoly.h +++ b/include/cantera/thermo/ConstCpPoly.h @@ -15,11 +15,10 @@ namespace Cantera { /** - * A constant-heat capacity species thermodynamic property manager class. - * This makes the - * assumption that the heat capacity is a constant. Then, the following - * relations are used to complete the specification of the thermodynamic - * functions for the species. + * A constant-heat capacity species thermodynamic property manager class. This + * makes the assumption that the heat capacity is a constant. Then, the + * following relations are used to complete the specification of the + * thermodynamic functions for the species. * * \f[ * \frac{c_p(T)}{R} = Cp0\_R @@ -50,9 +49,9 @@ public: * @param tlow Minimum temperature * @param thigh Maximum temperature * @param pref reference pressure (Pa). - * @param coeffs Vector of coefficients used to set the - * parameters for the standard state for species n. - * There are 4 coefficients for the ConstCpPoly parameterization. + * @param coeffs Vector of coefficients used to set the parameters for + * the standard state for species n. There are 4 + * coefficients for the ConstCpPoly parameterization. * - c[0] = \f$ T_0 \f$(Kelvin) * - c[1] = \f$ H_k^o(T_0, p_{ref}) \f$ (J/kmol) * - c[2] = \f$ S_k^o(T_0, p_{ref}) \f$ (J/kmol K) @@ -67,20 +66,12 @@ public: return CONSTANT_CP; } - //! Update the properties for this species, given a temperature polynomial /*! - * This method is called with a pointer to an array containing the functions of - * temperature needed by this parameterization, and three pointers to arrays where the - * computed property values should be written. This method updates only one value in - * each array. + * @copydoc SpeciesThermoInterpType::updateProperties * * Form and Length of the temperature polynomial: * - m_t[0] = tt; * - * @param tt Vector of temperature polynomials - * @param cp_R Vector of Dimensionless heat capacities. (length m_kk). - * @param h_RT Vector of Dimensionless enthalpies. (length m_kk). - * @param s_R Vector of Dimensionless entropies. (length m_kk). */ void updateProperties(const doublereal* tt, doublereal* cp_R, doublereal* h_RT, @@ -93,11 +84,6 @@ public: doublereal& tlow, doublereal& thigh, doublereal& pref, doublereal* const coeffs) const; - //! Modify parameters for the standard state - /*! - * @param coeffs Vector of coefficients used to set the - * parameters for the standard state. - */ virtual void modifyParameters(doublereal* coeffs); virtual doublereal reportHf298(doublereal* const h298 = 0) const; diff --git a/include/cantera/thermo/Mu0Poly.h b/include/cantera/thermo/Mu0Poly.h index d3cef03ec..7f9a2e24e 100644 --- a/include/cantera/thermo/Mu0Poly.h +++ b/include/cantera/thermo/Mu0Poly.h @@ -15,23 +15,22 @@ namespace Cantera class SpeciesThermo; class XML_Node; -//! The Mu0Poly class implements an interpolation of the Gibbs free energy based on a -//! piecewise constant heat capacity approximation. +//! The Mu0Poly class implements an interpolation of the Gibbs free energy based +//! on a piecewise constant heat capacity approximation. /*! - * The Mu0Poly class implements a piecewise constant heat capacity approximation. - * of the standard state chemical potential of one - * species at a single reference pressure. - * The chemical potential is input as a series of (\f$T\f$, \f$ \mu^o(T)\f$) - * values. The first temperature is assumed to be equal - * to 298.15 K; however, this may be relaxed in the future. - * This information, and an assumption of a constant - * heat capacity within each interval is enough to - * calculate all thermodynamic functions. + * The Mu0Poly class implements a piecewise constant heat capacity + * approximation. of the standard state chemical potential of one species at a + * single reference pressure. The chemical potential is input as a series of + * (\f$T\f$, \f$ \mu^o(T)\f$) values. The first temperature is assumed to be + * equal to 298.15 K; however, this may be relaxed in the future. This + * information, and an assumption of a constant heat capacity within each + * interval is enough to calculate all thermodynamic functions. * - * The piece-wise constant heat capacity is calculated from the change in the chemical potential over each interval. - * Once the heat capacity is known, the other thermodynamic functions may be determined. - * The basic equation for going from temperature point 1 to temperature point 2 - * are as follows for \f$ T \f$, \f$ T_1 <= T <= T_2 \f$ + * The piece-wise constant heat capacity is calculated from the change in the + * chemical potential over each interval. Once the heat capacity is known, the + * other thermodynamic functions may be determined. The basic equation for going + * from temperature point 1 to temperature point 2 are as follows for \f$ T \f$, + * \f$ T_1 <= T <= T_2 \f$ * * \f[ * \mu^o(T_1) = h^o(T_1) - T_1 * s^o(T_1) @@ -46,7 +45,8 @@ class XML_Node; * h^o(T_2) = h^o(T_1) + Cp^o(T_1)(T_2 - T_1) * \f] * - * Within each interval the following relations are used. For \f$ T \f$, \f$ T_1 <= T <= T_2 \f$ + * Within each interval the following relations are used. For \f$ T \f$, \f$ + * T_1 <= T <= T_2 \f$ * * \f[ * \mu^o(T) = \mu^o(T_1) + Cp^o(T_1)(T - T_1) - Cp^o(T_1)(T_2)ln(\frac{T}{T_1}) - s^o(T_1)(T - T_1) @@ -58,13 +58,12 @@ class XML_Node; * h^o(T) = h^o(T_1) + Cp^o(T_1)(T - T_1) * \f] * - * Notes about temperature interpolation for \f$ T < T_1 \f$ and \f$ T > T_{npoints} \f$. - * These are achieved by assuming a constant heat capacity - * equal to the value in the closest temperature interval. - * No error is thrown. + * Notes about temperature interpolation for \f$ T < T_1 \f$ and \f$ T > + * T_{npoints} \f$: These are achieved by assuming a constant heat capacity + * equal to the value in the closest temperature interval. No error is thrown. * - * @note In the future, a better assumption about the heat - * capacity may be employed, so that it can be continuous. + * @note In the future, a better assumption about the heat capacity may be + * employed, so that it can be continuous. * * @ingroup spthermo */ @@ -79,22 +78,21 @@ public: * In the constructor, we calculate and store the piecewise linear * approximation to the thermodynamic functions. * - * @param tlow Minimum temperature - * @param thigh Maximum temperature - * @param pref reference pressure (Pa). - * @param coeffs Vector of coefficients used to set the - * parameters for the standard state for species n. - * There are \f$ 2+npoints*2 \f$ coefficients, where - * \f$ npoints \f$ are the number of temperature points. - * Their identity is further broken down: + * @param tlow Minimum temperature + * @param thigh Maximum temperature + * @param pref reference pressure (Pa). + * @param coeffs Vector of coefficients used to set the parameters for the + * standard state for species n. There are \f$ 2+npoints*2 + * \f$ coefficients, where \f$ npoints \f$ are the number of + * temperature points. Their identity is further broken down: * - coeffs[0] = number of points (integer) - * - coeffs[1] = \f$ h^o(298.15 K) \f$ (J/kmol) - * - coeffs[2] = \f$ T_1 \f$ (Kelvin) - * - coeffs[3] = \f$ \mu^o(T_1) \f$ (J/kmol) - * - coeffs[4] = \f$ T_2 \f$ (Kelvin) - * - coeffs[5] = \f$ \mu^o(T_2) \f$ (J/kmol) - * - coeffs[6] = \f$ T_3 \f$ (Kelvin) - * - coeffs[7] = \f$ \mu^o(T_3) \f$ (J/kmol) + * - coeffs[1] = \f$ h^o(298.15 K) \f$ (J/kmol) + * - coeffs[2] = \f$ T_1 \f$ (Kelvin) + * - coeffs[3] = \f$ \mu^o(T_1) \f$ (J/kmol) + * - coeffs[4] = \f$ T_2 \f$ (Kelvin) + * - coeffs[5] = \f$ \mu^o(T_2) \f$ (J/kmol) + * - coeffs[6] = \f$ T_3 \f$ (Kelvin) + * - coeffs[7] = \f$ \mu^o(T_3) \f$ (J/kmol) * - ........ * . */ @@ -107,23 +105,13 @@ public: return MU0_INTERP; } - //! Update the properties for this species, given a temperature polynomial /*! - * This method is called with a pointer to an array containing the functions of - * temperature needed by this parameterization, and three pointers to arrays where the - * computed property values should be written. This method updates only one value in - * each array. + * @copydoc SpeciesThermoInterpType::updateProperties * * Temperature Polynomial: - * - * tPoly[0] = temp (Kelvin) - * - * @param tPoly vector of temperature polynomials. Length = 1 - * @param cp_R Vector of Dimensionless heat capacities. (length m_kk). - * @param h_RT Vector of Dimensionless enthalpies. (length m_kk). - * @param s_R Vector of Dimensionless entropies. (length m_kk). + * tt[0] = temp (Kelvin) */ - virtual void updateProperties(const doublereal* tPoly, + virtual void updateProperties(const doublereal* tt, doublereal* cp_R, doublereal* h_RT, doublereal* s_R) const; @@ -136,33 +124,22 @@ public: doublereal& pref, doublereal* const coeffs) const; - //! Modify parameters for the standard state - /*! - * @param coeffs Vector of coefficients used to set the - * parameters for the standard state. - */ virtual void modifyParameters(doublereal* coeffs); protected: - /** - * Number of intervals in the interpolating linear approximation. Number - * of points is one more than the number of intervals. - */ + //! Number of intervals in the interpolating linear approximation. Number + //! of points is one more than the number of intervals. size_t m_numIntervals; - /** - * Value of the enthalpy at T = 298.15. This value is tied to the Heat of - * formation of the species at 298.15. - */ + //! Value of the enthalpy at T = 298.15. This value is tied to the Heat of + //! formation of the species at 298.15. doublereal m_H298; //! Points at which the standard state chemical potential are given. vector_fp m_t0_int; - /** - * Mu0's are primary input data. They aren't strictly - * needed, but are kept here for convenience. - */ + //! Mu0's are primary input data. They aren't strictly needed, but are kept + //! here for convenience. vector_fp m_mu0_R_int; //! Dimensionless Enthalpies at the temperature points @@ -177,36 +154,32 @@ protected: private: //! process the coefficients /*! - * Mu0Poly(): - * * In the constructor, we calculate and store the piecewise linear * approximation to the thermodynamic functions. * * @param coeffs coefficients. These are defined as follows: - * - * coeffs[0] = number of points (integer) - * 1 = H298(J/kmol) - * 2 = T1 (Kelvin) - * 3 = mu1 (J/kmol) - * 4 = T2 (Kelvin) - * 5 = mu2 (J/kmol) - * 6 = T3 (Kelvin) - * 7 = mu3 (J/kmol) - * ........ + * - coeffs[0] = number of points (integer) + * - coeffs[1] = \f$ h^o(298.15 K) \f$ (J/kmol) + * - coeffs[2] = \f$ T_1 \f$ (Kelvin) + * - coeffs[3] = \f$ \mu^o(T_1) \f$ (J/kmol) + * - coeffs[4] = \f$ T_2 \f$ (Kelvin) + * - coeffs[5] = \f$ \mu^o(T_2) \f$ (J/kmol) + * - coeffs[6] = \f$ T_3 \f$ (Kelvin) + * - coeffs[7] = \f$ \mu^o(T_3) \f$ (J/kmol) + * - ........ */ void processCoeffs(const doublereal* coeffs); }; -//! Install a Mu0 polynomial thermodynamic reference state +//! Install a Mu0 polynomial thermodynamic reference state /*! * Install a Mu0 polynomial thermodynamic reference state property - * parameterization for species k into a SpeciesThermo instance, - * getting the information from an XML database. + * parameterization for species k into a SpeciesThermo instance, getting the + * information from an XML database. * - * @param Mu0Node Pointer to the XML element containing the - * Mu0 information. + * @param Mu0Node Pointer to the XML element containing the Mu0 information. * - * @ingroup spthermo + * @ingroup spthermo */ Mu0Poly* newMu0ThermoFromXML(const XML_Node& Mu0Node); } diff --git a/include/cantera/thermo/Nasa9Poly1.h b/include/cantera/thermo/Nasa9Poly1.h index 6b7add62e..85ee184c1 100644 --- a/include/cantera/thermo/Nasa9Poly1.h +++ b/include/cantera/thermo/Nasa9Poly1.h @@ -1,13 +1,11 @@ /** - * @file Nasa9Poly1.h - * Header for a single-species standard state object derived - * from - * \link Cantera::SpeciesThermoInterpType SpeciesThermoInterpType\endlink based - * on the NASA 9 coefficient temperature polynomial form applied to - * one temperature region - * (see \ref spthermo and class \link Cantera::Nasa9Poly1 Nasa9Poly1\endlink). + * @file Nasa9Poly1.h Header for a single-species standard state object derived + * from \link Cantera::SpeciesThermoInterpType + * SpeciesThermoInterpType\endlink based on the NASA 9 coefficient + * temperature polynomial form applied to one temperature region (see \ref + * spthermo and class \link Cantera::Nasa9Poly1 Nasa9Poly1\endlink). * - * This parameterization has one NASA temperature region. + * This parameterization has one NASA temperature region. */ /* * Copyright (2006) Sandia Corporation. Under the terms of @@ -24,16 +22,13 @@ namespace Cantera { //! The NASA 9 polynomial parameterization for one temperature range. /*! - * This parameterization expresses the heat capacity via a - * 7 coefficient polynomial. - * Note that this is the form used in the - * 2002 NASA equilibrium program. A reference to the form is - * provided below: + * This parameterization expresses the heat capacity via a 7 coefficient + * polynomial. Note that this is the form used in the 2002 NASA equilibrium + * program. A reference to the form is provided below: * - * "NASA Glenn Coefficients for Calculating Thermodynamic - * Properties of Individual Species," - * B. J. McBride, M. J. Zehe, S. Gordon - * NASA/TP-2002-211556, Sept. 2002 + * "NASA Glenn Coefficients for Calculating Thermodynamic Properties of + * Individual Species," B. J. McBride, M. J. Zehe, S. Gordon + * NASA/TP-2002-211556, Sept. 2002 * * Nine coefficients \f$(a_0,\dots,a_8)\f$ are used to represent * \f$ C_p^0(T)\f$, \f$ H^0(T)\f$, and \f$ S^0(T) \f$ as @@ -54,16 +49,13 @@ namespace Cantera * + a_3 T + \frac{a_4}{2} T^2 + \frac{a_5}{3} T^3 + \frac{a_6}{4} T^4 + a_8 * \f] * - * The standard state is assumed to be an ideal gas at the - * standard pressure of 1 bar, for gases. - * For condensed species, the standard state is the - * pure crystalline or liquid substance at the standard - * pressure of 1 atm. + * The standard state is assumed to be an ideal gas at the standard pressure of + * 1 bar, for gases. For condensed species, the standard state is the pure + * crystalline or liquid substance at the standard pressure of 1 atm. * - * These NASA representations may have multiple temperature regions - * through the use of the Nasa9PolyMultiTempRegion object, which uses - * multiple copies of this Nasa9Poly1 object to handle multiple temperature - * regions. + * These NASA representations may have multiple temperature regions through the + * use of the Nasa9PolyMultiTempRegion object, which uses multiple copies of + * this Nasa9Poly1 object to handle multiple temperature regions. * * @ingroup spthermo * @see Nasa9PolyMultiTempRegion @@ -92,58 +84,27 @@ public: virtual size_t temperaturePolySize() const { return 7; } virtual void updateTemperaturePoly(double T, double* T_poly) const; - //! Update the properties for this species, given a temperature polynomial /*! - * This method is called with a pointer to an array containing the - * functions of temperature needed by this parameterization, and three - * pointers to arrays where the computed property values should be - * written. This method updates only one value in each array. + * @copydoc SpeciesThermoInterpType::updateProperties * * Temperature Polynomial: - * tt[0] = t; - * tt[1] = t*t; - * tt[2] = t*t*t; - * tt[3] = t*t*t*t; - * tt[4] = 1.0/t; - * tt[5] = 1.0/(t*t); - * tt[6] = std::log(t); - * - * @param tt vector of temperature polynomials - * @param cp_R Vector of Dimensionless heat capacities. (length m_kk). - * @param h_RT Vector of Dimensionless enthalpies. (length m_kk). - * @param s_R Vector of Dimensionless entropies. (length m_kk). + * - tt[0] = t; + * - tt[1] = t*t; + * - tt[2] = t*t*t; + * - tt[3] = t*t*t*t; + * - tt[4] = 1.0/t; + * - tt[5] = 1.0/(t*t); + * - tt[6] = std::log(t); */ virtual void updateProperties(const doublereal* tt, doublereal* cp_R, doublereal* h_RT, doublereal* s_R) const; - //! Compute the reference-state property of one species - /*! - * Given temperature T in K, this method updates the values of the non- - * dimensional heat capacity at constant pressure, enthalpy, and entropy, - * at the reference pressure, Pref of one of the species. The species - * index is used to reference into the cp_R, h_RT, and s_R arrays. - * - * Temperature Polynomial: - * tt[0] = t; - * tt[1] = t*t; - * tt[2] = t*t*t; - * tt[3] = t*t*t*t; - * tt[4] = 1.0/t; - * tt[5] = 1.0/(t*t); - * tt[6] = std::log(t); - * - * @param temp Temperature (Kelvin) - * @param cp_R Vector of Dimensionless heat capacities. (length m_kk). - * @param h_RT Vector of Dimensionless enthalpies. (length m_kk). - * @param s_R Vector of Dimensionless entropies. (length m_kk). - */ virtual void updatePropertiesTemp(const doublereal temp, doublereal* cp_R, doublereal* h_RT, doublereal* s_R) const; - //!This utility function reports back the type of - //! parameterization and all of the parameters for the - //! species, index. + //! This utility function reports back the type of parameterization and all + //! of the parameters for the species /*! * All parameters are output variables * @@ -152,25 +113,19 @@ public: * @param tlow output - Minimum temperature * @param thigh output - Maximum temperature * @param pref output - reference pressure (Pa). - * @param coeffs Vector of coefficients used to set the - * parameters for the standard state. There are - * 12 of them, designed to be compatible - * with the multiple temperature formulation. - * coeffs[0] is equal to one. - * coeffs[1] is min temperature - * coeffs[2] is max temperature - * coeffs[3+i] from i =0,9 are the coefficients themselves + * @param coeffs Vector of coefficients used to set the parameters for + * the standard state. There are 12 of them, designed to be compatible + * with the multiple temperature formulation. + * - coeffs[0] is equal to one. + * - coeffs[1] is min temperature + * - coeffs[2] is max temperature + * - coeffs[3+i] from i =0,9 are the coefficients themselves */ virtual void reportParameters(size_t& n, int& type, doublereal& tlow, doublereal& thigh, doublereal& pref, doublereal* const coeffs) const; - //! Modify parameters for the standard state - /*! - * @param coeffs Vector of coefficients used to set the - * parameters for the standard state. - */ virtual void modifyParameters(doublereal* coeffs); protected: diff --git a/include/cantera/thermo/Nasa9PolyMultiTempRegion.h b/include/cantera/thermo/Nasa9PolyMultiTempRegion.h index 585c56b6c..f08ca16ad 100644 --- a/include/cantera/thermo/Nasa9PolyMultiTempRegion.h +++ b/include/cantera/thermo/Nasa9PolyMultiTempRegion.h @@ -18,16 +18,15 @@ namespace Cantera { -//! The NASA 9 polynomial parameterization for a single species -//! encompassing multiple temperature regions. +//! The NASA 9 polynomial parameterization for a single species encompassing +//! multiple temperature regions. /*! * The parameterization used in each temperature range is described in the * documentation for class Nasa9Poly1. * - * These NASA representations may have multiple temperature regions - * through the use of this Nasa9PolyMultiTempRegion object, which uses - * multiple copies of the Nasa9Poly1 object to handle multiple temperature - * regions. + * These NASA representations may have multiple temperature regions through the + * use of this Nasa9PolyMultiTempRegion object, which uses multiple copies of + * the Nasa9Poly1 object to handle multiple temperature regions. * * @ingroup spthermo * @see Nasa9Poly1 @@ -40,31 +39,19 @@ public: //! Constructor used in templated instantiations /*! - * @param regionPts Vector of pointers to Nasa9Poly1 objects. These - * objects all refer to the temperature regions for the - * same species. The vector must be in increasing - * temperature region format. Together they - * represent the reference temperature parameterization - * for a single species. + * @param regionPts Vector of pointers to Nasa9Poly1 objects. These objects + * all refer to the temperature regions for the same species. The vector + * must be in increasing temperature region format. Together they + * represent the reference temperature parameterization for a single + * species. * - * Note, after the constructor, we will own the underlying - * Nasa9Poly1 objects and be responsible for owning them. + * Note, after the constructor, we will own the underlying Nasa9Poly1 + * objects and be responsible for owning them. */ Nasa9PolyMultiTempRegion(std::vector ®ionPts); - //! Copy constructor - /*! - * @param b object to be copied - */ Nasa9PolyMultiTempRegion(const Nasa9PolyMultiTempRegion& b); - - //! Assignment operator - /*! - * @param b object to be copied - */ Nasa9PolyMultiTempRegion& operator=(const Nasa9PolyMultiTempRegion& b); - - //! Destructor virtual ~Nasa9PolyMultiTempRegion(); virtual SpeciesThermoInterpType* @@ -75,60 +62,17 @@ public: virtual size_t temperaturePolySize() const { return 7; } virtual void updateTemperaturePoly(double T, double* T_poly) const; - //! Update the properties for this species, given a temperature polynomial - /*! - * This method is called with a pointer to an array containing the - * functions of temperature needed by this parameterization, and three - * pointers to arrays where the computed property values should be - * written. This method updates only one value in each array. - * - * Temperature Polynomial: - * tt[0] = t; - * tt[1] = t*t; - * tt[2] = t*t*t; - * tt[3] = t*t*t*t; - * tt[4] = 1.0/t; - * tt[5] = 1.0/(t*t); - * tt[6] = std::log(t); - * - * @param tt vector of temperature polynomials - * @param cp_R Vector of Dimensionless heat capacities. (length m_kk). - * @param h_RT Vector of Dimensionless enthalpies. (length m_kk). - * @param s_R Vector of Dimensionless entropies. (length m_kk). - */ + //! @copydoc Nasa9Poly1::updateProperties virtual void updateProperties(const doublereal* tt, doublereal* cp_R, doublereal* h_RT, doublereal* s_R) const; - //! Compute the reference-state property of one species - /*! - * Given temperature T in K, this method updates the values of - * the non-dimensional heat capacity at constant pressure, - * enthalpy, and entropy, at the reference pressure, Pref - * of one of the species. The species index is used - * to reference into the cp_R, h_RT, and s_R arrays. - * - * Temperature Polynomial: - * tt[0] = t; - * tt[1] = t*t; - * tt[2] = t*t*t; - * tt[3] = t*t*t*t; - * tt[4] = 1.0/t; - * tt[5] = 1.0/(t*t); - * tt[6] = std::log(t); - * - * @param temp Temperature (Kelvin) - * @param cp_R Vector of Dimensionless heat capacities. (length m_kk). - * @param h_RT Vector of Dimensionless enthalpies. (length m_kk). - * @param s_R Vector of Dimensionless entropies. (length m_kk). - */ virtual void updatePropertiesTemp(const doublereal temp, doublereal* cp_R, doublereal* h_RT, doublereal* s_R) const; - //!This utility function reports back the type of - //! parameterization and all of the parameters for the - //! species, index. + //! This utility function reports back the type of parameterization and all + //! of the parameters for the species, index. /*! * All parameters are output variables * @@ -137,9 +81,8 @@ public: * @param tlow output - Minimum temperature * @param thigh output - Maximum temperature * @param pref output - reference pressure (Pa). - * @param coeffs Vector of coefficients used to set the - * parameters for the standard state. - * There are 1 + 11*nzones coefficients + * @param coeffs Vector of coefficients used to set the parameters for + * the standard state. There are 1 + 11*nzones coefficients. * coeffs[0] is equal to nTempZones. * index = 1 * for each zone: @@ -152,11 +95,6 @@ public: doublereal& pref, doublereal* const coeffs) const; - //! Modify parameters for the standard state - /*! - * @param coeffs Vector of coefficients used to set the - * parameters for the standard state. - */ virtual void modifyParameters(doublereal* coeffs); protected: diff --git a/include/cantera/thermo/NasaPoly1.h b/include/cantera/thermo/NasaPoly1.h index c69eda975..5e37006ed 100644 --- a/include/cantera/thermo/NasaPoly1.h +++ b/include/cantera/thermo/NasaPoly1.h @@ -17,12 +17,11 @@ namespace Cantera { /** - * The NASA polynomial parameterization for one temperature range. - * This parameterization expresses the heat capacity as a - * fourth-order polynomial. Note that this is the form used in the - * 1971 NASA equilibrium program and by the Chemkin software - * package, but differs from the form used in the more recent NASA - * equilibrium program. + * The NASA polynomial parameterization for one temperature range. This + * parameterization expresses the heat capacity as a fourth-order polynomial. + * Note that this is the form used in the 1971 NASA equilibrium program and by + * the Chemkin software package, but differs from the form used in the more + * recent NASA equilibrium program. * * Seven coefficients \f$(a_0,\dots,a_6)\f$ are used to represent * \f$ c_p^0(T)\f$, \f$ h^0(T)\f$, and \f$ s^0(T) \f$ as @@ -32,11 +31,11 @@ namespace Cantera * \f] * \f[ * \frac{h^0(T)}{RT} = a_0 + \frac{a_1}{2} T + \frac{a_2}{3} T^2 - * + \frac{a_3}{4} T^3 + \frac{a_4}{5} T^4 + \frac{a_5}{T}. + * + \frac{a_3}{4} T^3 + \frac{a_4}{5} T^4 + \frac{a_5}{T}. * \f] * \f[ * \frac{s^0(T)}{R} = a_0\ln T + a_1 T + \frac{a_2}{2} T^2 - + \frac{a_3}{3} T^3 + \frac{a_4}{4} T^4 + a_6. + * + \frac{a_3}{3} T^3 + \frac{a_4}{4} T^4 + a_6. * \f] * * @ingroup spthermo @@ -82,12 +81,8 @@ public: T_poly[5] = std::log(T); } - //! Update the properties for this species, given a temperature polynomial /*! - * This method is called with a pointer to an array containing the - * functions of temperature needed by this parameterization, and three - * pointers to arrays where the computed property values should be - * written. This method updates only one value in each array. + * @copydoc SpeciesThermoInterpType::updateProperties * * Temperature Polynomial: * tt[0] = t; @@ -96,11 +91,6 @@ public: * tt[3] = m_t[2]*t; * tt[4] = 1.0/t; * tt[5] = std::log(t); - * - * @param tt vector of temperature polynomials - * @param cp_R Vector of Dimensionless heat capacities. (length m_kk). - * @param h_RT Vector of Dimensionless enthalpies. (length m_kk). - * @param s_R Vector of Dimensionless entropies. (length m_kk). */ virtual void updateProperties(const doublereal* tt, doublereal* cp_R, doublereal* h_RT, doublereal* s_R) const { @@ -143,11 +133,6 @@ public: std::copy(m_coeff.begin(), m_coeff.end(), coeffs); } - //! Modify parameters for the standard state - /*! - * @param coeffs Vector of coefficients used to set the - * parameters for the standard state. - */ virtual void modifyParameters(doublereal* coeffs) { std::copy(coeffs, coeffs+7, m_coeff.begin()); } diff --git a/include/cantera/thermo/NasaPoly2.h b/include/cantera/thermo/NasaPoly2.h index 070e5efc4..c1169f7c3 100644 --- a/include/cantera/thermo/NasaPoly2.h +++ b/include/cantera/thermo/NasaPoly2.h @@ -18,12 +18,11 @@ namespace Cantera { /** - * The NASA polynomial parameterization for two temperature ranges. - * This parameterization expresses the heat capacity as a - * fourth-order polynomial. Note that this is the form used in the - * 1971 NASA equilibrium program and by the Chemkin software - * package, but differs from the form used in the more recent NASA - * equilibrium program. + * The NASA polynomial parameterization for two temperature ranges. This + * parameterization expresses the heat capacity as a fourth-order polynomial. + * Note that this is the form used in the 1971 NASA equilibrium program and by + * the Chemkin software package, but differs from the form used in the more + * recent NASA equilibrium program. * * Seven coefficients \f$(a_0,\dots,a_6)\f$ are used to represent * \f$ c_p^0(T)\f$, \f$ h^0(T)\f$, and \f$ s^0(T) \f$ as @@ -33,11 +32,11 @@ namespace Cantera * \f] * \f[ * \frac{h^0(T)}{RT} = a_0 + \frac{a_1}{2} T + \frac{a_2}{3} T^2 - * + \frac{a_3}{4} T^3 + \frac{a_4}{5} T^4 + \frac{a_5}{T}. + * + \frac{a_3}{4} T^3 + \frac{a_4}{5} T^4 + \frac{a_5}{T}. * \f] * \f[ * \frac{s^0(T)}{R} = a_0\ln T + a_1 T + \frac{a_2}{2} T^2 - + \frac{a_3}{3} T^3 + \frac{a_4}{4} T^4 + a_6. + * + \frac{a_3}{3} T^3 + \frac{a_4}{4} T^4 + a_6. * \f] * * This class is designed specifically for use by the class @@ -89,26 +88,7 @@ public: mnp_low.updateTemperaturePoly(T, T_poly); } - //! Update the properties for this species, given a temperature polynomial - /*! - * This method is called with a pointer to an array containing the - * functions of temperature needed by this parameterization, and three - * pointers to arrays where the computed property values should be - * written. This method updates only one value in each array. - * - * Temperature Polynomial: - * tt[0] = t; - * tt[1] = t*t; - * tt[2] = m_t[1]*t; - * tt[3] = m_t[2]*t; - * tt[4] = 1.0/t; - * tt[5] = std::log(t); - * - * @param tt vector of temperature polynomials - * @param cp_R Vector of Dimensionless heat capacities. (length m_kk). - * @param h_RT Vector of Dimensionless enthalpies. (length m_kk). - * @param s_R Vector of Dimensionless entropies. (length m_kk). - */ + //! @copydoc NasaPoly1::updateProperties void updateProperties(const doublereal* tt, doublereal* cp_R, doublereal* h_RT, doublereal* s_R) const { if (tt[0] <= m_midT) { diff --git a/include/cantera/thermo/ShomatePoly.h b/include/cantera/thermo/ShomatePoly.h index cdd205377..b0f6a8a37 100644 --- a/include/cantera/thermo/ShomatePoly.h +++ b/include/cantera/thermo/ShomatePoly.h @@ -17,8 +17,8 @@ namespace Cantera { -//! The Shomate polynomial parameterization for one temperature range -//! for one species +//! The Shomate polynomial parameterization for one temperature range for one +//! species /*! * Seven coefficients \f$(A,\dots,G)\f$ are used to represent * \f$ c_p^0(T)\f$, \f$ h^0(T)\f$, and \f$ s^0(T) \f$ as @@ -29,15 +29,15 @@ namespace Cantera * \f] * \f[ * \tilde{h}^0(T) = A t + \frac{B t^2}{2} + \frac{C t^3}{3} - + \frac{D t^4}{4} - \frac{E}{t} + F. + * + \frac{D t^4}{4} - \frac{E}{t} + F. * \f] * \f[ * \tilde{s}^0(T) = A\ln t + B t + \frac{C t^2}{2} - + \frac{D t^3}{3} - \frac{E}{2t^2} + G. + * + \frac{D t^3}{3} - \frac{E}{2t^2} + G. * \f] * - * In the above expressions, the thermodynamic polynomials are expressed - * in dimensional units, but the temperature,\f$ t \f$, is divided by 1000. The + * In the above expressions, the thermodynamic polynomials are expressed in + * dimensional units, but the temperature,\f$ t \f$, is divided by 1000. The * following dimensions are assumed in the above expressions: * * - \f$ \tilde{c}_p^0(T)\f$ = Heat Capacity (J/gmol*K) @@ -45,8 +45,8 @@ namespace Cantera * - \f$ \tilde{s}^0(T) \f$= standard Entropy (J/gmol*K) * - \f$ t \f$= temperature (K) / 1000. * - * For more information about Shomate polynomials, see the NIST website, - * http://webbook.nist.gov/ + * For more information about Shomate polynomials, see the NIST website, + * http://webbook.nist.gov/ * * Before being used within Cantera, the dimensions must be adjusted to those * used by Cantera (i.e., Joules and kmol). @@ -100,13 +100,10 @@ public: T_poly[5] = 1.0/tt; } - //! Update the properties for this species, given a temperature polynomial /*! - * This method is called with a pointer to an array containing the - * functions of temperature needed by this parameterization, and three - * pointers to arrays where the computed property values should be - * written. This method updates only one value in each array. + * @copydoc SpeciesThermoInterpType::updateProperties * + * Form of the temperature polynomial: * - `t` is T/1000. * - `t[0] = t` * - `t[1] = t*t` @@ -114,11 +111,6 @@ public: * - `t[3] = 1.0/t[1]` * - `t[4] = log(t)` * - `t[5] = 1.0/t; - * - * @param[in] tt Array of evaluated temperature functions - * @param[out] cp_R Dimensionless heat capacity - * @param[out] h_RT Dimensionless enthalpy - * @param[out] s_R Dimensionless entropy */ virtual void updateProperties(const doublereal* tt, doublereal* cp_R, doublereal* h_RT, @@ -158,11 +150,6 @@ public: } } - //! Modify parameters for the standard state - /*! - * @param coeffs Vector of coefficients used to set the - * parameters for the standard state. - */ virtual void modifyParameters(doublereal* coeffs) { for (size_t i = 0; i < 7; i++) { m_coeff[i] = coeffs[i] * 1000 / GasConstant; @@ -186,8 +173,8 @@ protected: vector_fp m_coeff; }; -//! The Shomate polynomial parameterization for two temperature ranges -//! for one species +//! The Shomate polynomial parameterization for two temperature ranges for one +//! species /*! * Seven coefficients \f$(A,\dots,G)\f$ are used to represent * \f$ c_p^0(T)\f$, \f$ h^0(T)\f$, and \f$ s^0(T) \f$ as @@ -198,11 +185,11 @@ protected: * \f] * \f[ * \tilde{h}^0(T) = A t + \frac{B t^2}{2} + \frac{C t^3}{3} - + \frac{D t^4}{4} - \frac{E}{t} + F. + * + \frac{D t^4}{4} - \frac{E}{t} + F. * \f] * \f[ * \tilde{s}^0(T) = A\ln t + B t + \frac{C t^2}{2} - + \frac{D t^3}{3} - \frac{E}{2t^2} + G. + * + \frac{D t^3}{3} - \frac{E}{2t^2} + G. * \f] * * In the above expressions, the thermodynamic polynomials are expressed @@ -214,8 +201,8 @@ protected: * - \f$ \tilde{s}^0(T) \f$= standard Entropy (J/gmol*K) * - \f$ t \f$= temperature (K) / 1000. * - * For more information about Shomate polynomials, see the NIST website, - * http://webbook.nist.gov/ + * For more information about Shomate polynomials, see the NIST website, + * http://webbook.nist.gov/ * * Before being used within Cantera, the dimensions must be adjusted to those * used by Cantera (i.e., Joules and kmol). diff --git a/include/cantera/thermo/SpeciesThermoInterpType.h b/include/cantera/thermo/SpeciesThermoInterpType.h index db9823e44..4ebc6e734 100644 --- a/include/cantera/thermo/SpeciesThermoInterpType.h +++ b/include/cantera/thermo/SpeciesThermoInterpType.h @@ -23,57 +23,50 @@ class VPSSMgr; /** * @defgroup spthermo Species Reference-State Thermodynamic Properties * - * The ThermoPhase object relies on classes to calculate the thermodynamic - * properties of the reference state for all of the species in the phase. - * This group describes the types and functionality of the classes that - * calculate the reference state thermodynamic functions within %Cantera. + * The ThermoPhase object relies on classes to calculate the thermodynamic + * properties of the reference state for all of the species in the phase. This + * group describes the types and functionality of the classes that calculate + * the reference state thermodynamic functions within %Cantera. * - * To compute the thermodynamic properties of multicomponent - * solutions, it is necessary to know something about the - * thermodynamic properties of the individual species present in - * the solution. Exactly what sort of species properties are - * required depends on the thermodynamic model for the - * solution. For a gaseous solution (i.e., a gas mixture), the - * species properties required are usually ideal gas properties at - * the mixture temperature and at a reference pressure (almost always at - * 1 bar). For other types of solutions, however, it may - * not be possible to isolate the species in a "pure" state. For - * example, the thermodynamic properties of, say, Na+ and Cl- in - * saltwater are not easily determined from data on the properties - * of solid NaCl, or solid Na metal, or chlorine gas. In this - * case, the solvation in water is fundamental to the identity of - * the species, and some other reference state must be used. One - * common convention for liquid solutions is to use thermodynamic - * data for the solutes in the limit of infinite dilution within the - * pure solvent; another convention is to reference all properties - * to unit molality. + * To compute the thermodynamic properties of multicomponent solutions, it is + * necessary to know something about the thermodynamic properties of the + * individual species present in the solution. Exactly what sort of species + * properties are required depends on the thermodynamic model for the solution. + * For a gaseous solution (i.e., a gas mixture), the species properties + * required are usually ideal gas properties at the mixture temperature and at + * a reference pressure (almost always at 1 bar). For other types of solutions, + * however, it may not be possible to isolate the species in a "pure" state. + * For example, the thermodynamic properties of, say, Na+ and Cl- in saltwater + * are not easily determined from data on the properties of solid NaCl, or + * solid Na metal, or chlorine gas. In this case, the solvation in water is + * fundamental to the identity of the species, and some other reference state + * must be used. One common convention for liquid solutions is to use + * thermodynamic data for the solutes in the limit of infinite dilution within + * the pure solvent; another convention is to reference all properties to unit + * molality. * - * In defining these standard states for species in a phase, we make - * the following definition. A reference state is a standard state - * of a species in a phase limited to one particular pressure, the reference - * pressure. The reference state specifies the dependence of all - * thermodynamic functions as a function of the temperature, in - * between a minimum temperature and a maximum temperature. The - * reference state also specifies the molar volume of the species - * as a function of temperature. The molar volume is a thermodynamic - * function. - * A full standard state does the same thing as a reference state, + * In defining these standard states for species in a phase, we make the + * following definition. A reference state is a standard state of a species in + * a phase limited to one particular pressure, the reference pressure. The + * reference state specifies the dependence of all thermodynamic functions as a + * function of the temperature, in between a minimum temperature and a maximum + * temperature. The reference state also specifies the molar volume of the + * species as a function of temperature. The molar volume is a thermodynamic + * function. A full standard state does the same thing as a reference state, * but specifies the thermodynamics functions at all pressures. * - * Whatever the conventions used by a particular solution model, - * means need to be provided to compute the species properties in - * the reference state. Class SpeciesThermo is the base class - * for a family of classes that compute properties of all - * species in a phase in their reference states, for a range of temperatures. - * Note, the pressure dependence of the species thermodynamic functions is not - * handled by this particular species thermodynamic model. SpeciesThermo - * calculates the reference-state thermodynamic values of all species in a single - * phase during each call. + * Whatever the conventions used by a particular solution model, means need to + * be provided to compute the species properties in the reference state. Class + * SpeciesThermo is the base class for a family of classes that compute + * properties of all species in a phase in their reference states, for a range + * of temperatures. Note, the pressure dependence of the species thermodynamic + * functions is not handled by this particular species thermodynamic model. + * SpeciesThermo calculates the reference-state thermodynamic values of all + * species in a single phase during each call. * * The class SpeciesThermoInterpType is a pure virtual base class for - * calculation of thermodynamic functions for a single species - * in its reference state. - * The following classes inherit from SpeciesThermoInterpType. + * calculation of thermodynamic functions for a single species in its reference + * state. The following classes inherit from SpeciesThermoInterpType. * * - NasaPoly1 in file NasaPoly1.h * - This is a one zone model, consisting of a 7 @@ -112,46 +105,41 @@ class VPSSMgr; * functions by relying on a pressure dependent * standard state object (i.e., a PDSS object) to calculate * the thermodynamic functions. - * . * - * The most important member function for the SpeciesThermoInterpType class - * is the member function - * \link SpeciesThermoInterpType::updatePropertiesTemp() updatePropertiesTemp()\endlink. - * The function calculates the values of Cp, H, and S for the specific - * species pertaining to this class. It takes as its arguments the - * base pointer for the vector of Cp, H, and S values for all species - * in the phase. The offset for the species is known within the - * object. + * The most important member function for the SpeciesThermoInterpType class is + * the member function SpeciesThermoInterpType::updatePropertiesTemp(). The + * function calculates the values of Cp, H, and S for the specific species + * pertaining to this class. It takes as its arguments the base pointer for the + * vector of Cp, H, and S values for all species in the phase. The offset for + * the species is known within the object. * - * A key concept for reference states is that there is a maximum and a minimum - * temperature beyond which the thermodynamic formulation isn't valid. - * Calls for temperatures outside this range will cause the - * object to throw a CanteraError. + * A key concept for reference states is that there is a maximum and a minimum + * temperature beyond which the thermodynamic formulation isn't valid. Calls + * for temperatures outside this range will cause the object to throw a + * CanteraError. * * @ingroup thermoprops */ -//! Pure Virtual Base class for the thermodynamic manager for -//! an individual species' reference state +//! Pure Virtual Base class for the thermodynamic manager for an individual +//! species' reference state /*! - * This differs from the SpeciesThermo virtual - * base class in the sense that this class is meant to handle only - * one species. The speciesThermo class is meant to handle the - * calculation of all the species (or a large subset) in a phase. + * This differs from the SpeciesThermo virtual base class in the sense that this + * class is meant to handle only one species. The speciesThermo class is meant + * to handle the calculation of all the species (or a large subset) in a phase. * - * One key feature is that the update routines use the same - * form as the update routines in the speciesThermo class. They update - * into a vector of cp_R, s_R, and H_R that spans all of the species in - * a phase. Therefore, this class must carry along a species index into that - * vector. + * One key feature is that the update routines use the same form as the update + * routines in the speciesThermo class. They update into a vector of cp_R, s_R, + * and H_R that spans all of the species in a phase. Therefore, this class must + * carry along a species index into that vector. * * These routine may be templated. A key requirement of the template is that * there is a constructor with the following form: * - * @code - * SpeciesThermoInterpType(int index, doublereal tlow, doublereal thigh, - * doublereal pref, const doublereal* coeffs) - * @endcode + * @code + * SpeciesThermoInterpType(int index, doublereal tlow, doublereal thigh, + * doublereal pref, const doublereal* coeffs) + * @endcode * * @ingroup spthermo */ @@ -169,14 +157,14 @@ public: virtual SpeciesThermoInterpType* duplMyselfAsSpeciesThermoInterpType() const = 0; - //! Returns the minimum temperature that the thermo - //! parameterization is valid + //! Returns the minimum temperature that the thermo parameterization is + //! valid virtual doublereal minTemp() const { return m_lowT; } - //! Returns the maximum temperature that the thermo - //! parameterization is valid + //! Returns the maximum temperature that the thermo parameterization is + //! valid virtual doublereal maxTemp() const { return m_highT; } @@ -212,22 +200,20 @@ public: * The form and length of the Temperature Polynomial may vary depending on * the parameterization. * - * @param tempPoly vector of temperature polynomials + * @param tt vector of evaluated temperature functions * @param cp_R Vector of Dimensionless heat capacities. (length m_kk). * @param h_RT Vector of Dimensionless enthalpies. (length m_kk). * @param s_R Vector of Dimensionless entropies. (length m_kk). */ - virtual void updateProperties(const doublereal* tempPoly, + virtual void updateProperties(const doublereal* tt, doublereal* cp_R, doublereal* h_RT, doublereal* s_R) const; //! Compute the reference-state property of one species /*! - * Given temperature T in K, this method updates the values of - * the non-dimensional heat capacity at constant pressure, - * enthalpy, and entropy, at the reference pressure, Pref - * of one of the species. The species index is used - * to reference into the cp_R, h_RT, and s_R arrays. + * Given temperature T in K, this method updates the values of the non- + * dimensional heat capacity at constant pressure, enthalpy, and entropy, at + * the reference pressure, of the species. * * @param temp Temperature (Kelvin) * @param cp_R Vector of Dimensionless heat capacities. (length m_kk). @@ -239,9 +225,8 @@ public: doublereal* h_RT, doublereal* s_R) const = 0; - //!This utility function reports back the type of - //! parameterization and all of the parameters for the - //! species, index. + //! This utility function reports back the type of parameterization and all + //! of the parameters for the species. /*! * All parameters are output variables * @@ -260,36 +245,36 @@ public: //! Modify parameters for the standard state /*! - * @param coeffs Vector of coefficients used to set the - * parameters for the standard state. + * @param coeffs Vector of coefficients used to set the parameters for the + * standard state. */ virtual void modifyParameters(doublereal* coeffs) {} //! Report the 298 K Heat of Formation of the standard state of one species //! (J kmol-1) /*! - * The 298K Heat of Formation is defined as the enthalpy change to create - * the standard state of the species from its constituent elements in - * their standard states at 298 K and 1 bar. + * The 298K Heat of Formation is defined as the enthalpy change to create + * the standard state of the species from its constituent elements in their + * standard states at 298 K and 1 bar. * - * @param h298 If this is nonnull, the current value of the Heat of - * Formation at 298K and 1 bar for species m_speciesIndex is - * returned in h298[m_speciesIndex]. - * @return Returns the current value of the Heat of Formation at 298K - * and 1 bar for species m_speciesIndex. + * @param h298 If this is nonnull, the current value of the Heat of + * Formation at 298K and 1 bar for species m_speciesIndex is + * returned in h298[m_speciesIndex]. + * @return the current value of the Heat of Formation at 298K and 1 bar for + * species m_speciesIndex. */ virtual doublereal reportHf298(doublereal* const h298 = 0) const; //! Modify the value of the 298 K Heat of Formation of one species in the //! phase (J kmol-1) /*! - * The 298K heat of formation is defined as the enthalpy change to create - * the standard state of the species from its constituent elements in - * their standard states at 298 K and 1 bar. + * The 298K heat of formation is defined as the enthalpy change to create + * the standard state of the species from its constituent elements in their + * standard states at 298 K and 1 bar. * - * @param k Species k - * @param Hf298New Specify the new value of the Heat of Formation at - * 298K and 1 bar + * @param k Species k + * @param Hf298New Specify the new value of the Heat of Formation at + * 298K and 1 bar */ virtual void modifyOneHf298(const size_t k, const doublereal Hf298New); @@ -305,13 +290,13 @@ protected: //! Class for the thermodynamic manager for an individual species' reference //! state which uses the PDSS base class to satisfy the requests. /*! - * This class is a pass-through class for handling thermodynamics calls - * for reference state thermo to an pressure dependent standard state (PDSS) - * class. For some situations, it makes no sense to have a reference state - * at all. One example of this is the real water standard state. + * This class is a pass-through class for handling thermodynamics calls for + * reference state thermo to an pressure dependent standard state (PDSS) class. + * For some situations, it makes no sense to have a reference state at all. One + * example of this is the real water standard state. * - * What this class does is just to pass through the calls for thermo at (T, p0) - * to the PDSS class, which evaluates the calls at (T, p0). + * What this class does is just to pass through the calls for thermo at (T, p0) + * to the PDSS class, which evaluates the calls at (T, p0). * * @ingroup spthermo */ @@ -323,50 +308,37 @@ public: //! Main Constructor /*! - * @param vpssmgr_ptr Pointer to the Variable pressure standard state - * manager that owns the PDSS object that will handle calls for this - * object - * @param PDSS_ptr Pointer to the PDSS object that handles calls for - * this object + * @param vpssmgr_ptr Pointer to the Variable pressure standard state + * manager that owns the PDSS object that will handle calls for this + * object + * @param PDSS_ptr Pointer to the PDSS object that handles calls for + * this object */ STITbyPDSS(VPSSMgr* vpssmgr_ptr, PDSS* PDSS_ptr); - //! copy constructor - /*! - * @param b Object to be copied - */ STITbyPDSS(const STITbyPDSS& b); virtual SpeciesThermoInterpType* duplMyselfAsSpeciesThermoInterpType() const; //! Initialize and/or Reinitialize all the pointers for this object /*! - * This routine is needed because the STITbyPDSS object doesn't own the - * underlying objects. Therefore, shallow copies during duplication - * operations may fail. + * This routine is needed because the STITbyPDSS object doesn't own the + * underlying objects. Therefore, shallow copies during duplication + * operations may fail. * - * @param speciesIndex species index for this object. Note, this must - * agree with what was internally set before. - * @param vpssmgr_ptr Pointer to the Variable pressure standard state - * manager that owns the PDSS object that will handle calls for this - * object - * @param PDSS_ptr Pointer to the PDSS object that handles calls for - * this object + * @param speciesIndex species index for this object. Note, this must agree + * with what was internally set before. + * @param vpssmgr_ptr Pointer to the Variable pressure standard state + * manager that owns the PDSS object that will handle calls for this + * object + * @param PDSS_ptr Pointer to the PDSS object that handles calls for + * this object */ void initAllPtrs(size_t speciesIndex, VPSSMgr* vpssmgr_ptr, PDSS* PDSS_ptr); - //! Returns the minimum temperature that the thermo - //! parameterization is valid virtual doublereal minTemp() const; - - //! Returns the maximum temperature that the thermo - //! parameterization is valid virtual doublereal maxTemp() const; - - //! Returns the reference pressure (Pa) virtual doublereal refPressure() const; - - //! Returns an integer representing the type of parameterization virtual int reportType() const; virtual void updateProperties(const doublereal* tempPoly, @@ -386,8 +358,8 @@ public: virtual void modifyParameters(doublereal* coeffs) {} private: - //! Pointer to the Variable pressure standard state manager - //! that owns the PDSS object that will handle calls for this object + //! Pointer to the Variable pressure standard state manager that owns the + //! PDSS object that will handle calls for this object VPSSMgr* m_vpssmgr_ptr; //! Pointer to the PDSS object that handles calls for this object